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8-Bromoquinoline(CAS No. 16567-18-3)

8-Bromoquinoline C9H6BrN (cas 16567-18-3) Molecular Structure

16567-18-3 Structure

Identification and Related Records

【Name】
8-Bromoquinoline
【Iupac name】
8-bromoquinoline
【CAS Registry number】
16567-18-3
【Synonyms】
Quinoline, 8-bromo-
8-Bromo-quinoline
8-Bromoquinoline ,97%
【Molecular Formula】
C9H6BrN (Products with the same molecular formula)
【Molecular Weight】
208.05
【Inchi】
InChI=1/C9H6BrN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
【InChIKey】
PIWNKSHCLTZKSZ-UHFFFAOYSA-N
【Canonical SMILES】
C1=CC2=C(C(=C1)Br)N=CC=C2
【MOL File】
16567-18-3.mol

Chemical and Physical Properties

【Appearance】
white to light yellow crystal powder
【Density】
1.594
【Melting Point】
58-59℃
【Boiling Point】
112-113℃(0.5 torr)
【Vapour】
0.002mmHg at 25°C
【Refractive Index】
1.6675-1.67
【Flash Point】
132.8 oC
【Storage temp】
Refrigerator (+4°C)
【Computed Properties】
Molecular Weight:208.05464 [g/mol]
Molecular Formula:C9H6BrN
XLogP3:2.5
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:0
Exact Mass:206.968362
MonoIsotopic Mass:206.968362
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Formal Charge:0
Complexity:138
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant

【Specification】

?8-Bromoquinoline (CAS NO.16567-18-3), its Synonyms are Quinoline, 8-bromo- ; 8-Bromo-quinoline ; 8-Bromoquinoline ,97% .

Supplier Location

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Telephone:86-21-60542966

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